2-Bromo-5-nitrothiophene
Properties
- Molecular formula
- C4H2BrNO2S
- Molar mass
- 208.03 g/mol
- Exact mass
- 206.8990 Da
- Melting point
- 45–46 °C
- Boiling point
- 235–237 °C
- logP
- 2.42Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13195-50-1SMILES
O=[N+]([O-])c1ccc(Br)s1InChIKey
ZPNFMDYBAQDFDY-UHFFFAOYSA-NInChI
InChI=1S/C4H2BrNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Thiophene, 2-bromo-5-nitro-
- 2-Nitro-5-bromothiophene
- 5-Bromo-2-nitrothiophene
- NSC 511505
Work with 2-Bromo-5-nitrothiophene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Nitro-2-thiophenecarboxaldehyde4521-33-952 % similar
5-Nitrothiophene-2-carbonitrile16689-02-450 % similar
5-Nitro-2-thiophenecarboxylic acid6317-37-947 % similar
2-Bromo-5-nitrothiazole3034-48-847 % similar
2,5-Dibromothiophene3141-27-344 % similar
2-Nitrothiophene609-40-544 % similar
Methyl 5-nitro-2-thiophenecarboxylate5832-01-944 % similar
2,5-Dibromo-3,4-dinitrothiophene52431-30-842 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.